N-(4-aminophenyl)-2-(4-phenylphenoxy)acetamide

• ChemBase ID: 23141
• Molecular Formular: C20H18N2O2
• Molecular Mass: 318.36912
• Monoisotopic Mass: 318.13682783
• SMILES: C(=O)(Nc1ccc(N)cc1)COc1ccc(c2ccccc2)cc1
• Canonical SMILES: O=C(Nc1ccc(cc1)N)COc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C20H18N2O2/c21-17-8-10-18(11-9-17)22-20(23)14-24-19-12-6-16(7-13-19)15-4-2-1-3-5-15/h1-13H,14,21H2,(H,22,23)
• InChIKey: YPGRYMYPDGBMGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-aminophenyl)-2-(4-phenylphenoxy)acetamide
• IUPAC Traditional name: N-(4-aminophenyl)-2-(4-phenylphenoxy)acetamide
• Synonyms: N-(4-Aminophenyl)-2-([1,1'-biphenyl]-4-yloxy)-acetamide

Database IDs

• MDL Number: MFCD09997322
• PubChem SID: 160986448
• PubChem CID: 28306620

CALCULATED PROPERTIES

• Acid pKa: 12.792633
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.5374587
• LogD (pH = 7.4): 3.5460467
• Log P: 3.5461593
• Molar Refractivity: 96.7197 cm^3
• Polarizability: 37.613228 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false